[2,4,7-tris(dimethylsulfamoyl)naphthalen-1-yl] benzenesulfonate

Systemtic Name: [2,4,7-tris(dimethylsulfamoyl)naphthalen-1-yl] benzenesulfonate Openeye Name: [2,4,7-tris(dimethylsulfamoyl)-1-naphthyl] benzenesulfonate CAS Name: benzenesulfonic acid [2,4,7-tris(dimethylsulfamoyl)-1-naphthalenyl] ester IUPAC Name: [2,4,7-tris(dimethylsulfamoyl)naphthalen-1-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2,4,7-tris(dimethylsulfamoyl)-1-naphthyl] ester Formula: C22H27N3O9S4 MolecularWeight: 605.72448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)C(=CC(=C2OS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)N(C)C)S(=O)(=O)N(C)C

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)C(=CC(=C2OS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)N(C)C)S(=O)(=O)N(C)C

InChI

InChI=1S/C22H27N3O9S4/c1-23(2)35(26,27)17-12-13-18-19(14-17)22(34-38(32,33)16-10-8-7-9-11-16)21(37(30,31)25(5)6)15-20(18)36(28,29)24(3)4/h7-15H,1-6H3